Re: [gmx-users] DPPC-DOTAP Mixed Lipid Bilayer

Hi Nidhin, It looks like you have a version of insane that still builds oleyl with five beads. It should be four as 'CDCC' like you did for building the topology. So you also need to remove the C5 beads and shift the D to position two. Then you should be set to make/simulate your bilayers.

Re: [gmx-users] DPPC-DOTAP Mixed Lipid Bilayer

Hi Dr. Wassenaar, I have edited insane.py using the following command. "DOTAP": (moltype, " - - - - - NC3 GL1 GL2 C1A C2A D3A C4A C5A - C1B C2B D3B C4B C5B - “), I replaced NC3 of DOPC with ‘-‘ and PO4 of DOPC with NC3 as you suggested. Then I used insane.py to create the mixed

Re: [gmx-users] DPPC-DOTAP Mixed Lipid Bilayer

Hi Nidhin, As I understand, it would simply mean copying the line of DOPC, change the name to DOPAT, replace NC3 by a dash (-) and replace PO4 with NC3. Cheers, Tsjerk On Jun 7, 2016 6:21 PM, "Nidhin Thomas" wrote: > Hi Dr. Wassenaar, > > Thanks a lot for offering

Re: [gmx-users] DPPC-DOTAP Mixed Lipid Bilayer

Hi Dr. Wassenaar, Thanks a lot for offering help to create DPPC-DOTAP bilayer model. I have gone through the research paper on insane method. I understand that I may be able to create DOTAP template by taking the fatty acids and linkers from DOPC lipid template and link them with NC3 head

Re: [gmx-users] DPPC-DOTAP Mixed Lipid Bilayer

Hi Nidhin, Insane allows you to build lipids from the command line. Alternatively, it's pretty easy to add DOTAP to insane, using the templates inside. If you feel you need a hand with that, let me know. Cheers, Tsjerk On Jun 7, 2016 12:21 AM, "Nidhin Thomas"

[gmx-users] DPPC-DOTAP Mixed Lipid Bilayer

Hi GROMACS Users, I would like to create a mixed bilayer of DPPC and DOTAP lipids for research. I usually use charm-gui or insane.py to create a mixed bilayer. But I could not find DOTAP listed in either of these lists. When I searched online, I got a mixed bilayer system for DMPC & DPPC lipids